4989-0003 Screening compound: (3Z)-3-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methylphenyl)-2,3-dihydrofuran-2-one

4989-0003 Screening compound: (3Z)-3-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methylphenyl)-2,3-dihydrofuran-2-one
4989-0003 Screening compound: (3Z)-3-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methylphenyl)-2,3-dihydrofuran-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4989-0003
(3Z)-3-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methylphenyl)-2,3-dihydrofuran-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4989-0003

Molecular Formula

C27H23BrO4 (C27 H23 BrO4)

Compound Name

(3Z)-3-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methylphenyl)-2,3-dihydrofuran-2-one

IUPAC name

(3Z)-3-({4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl}methylidene)-5-(4-methylphenyl)-23-dihydrofuran-2-one

SMILES

CCOc(cc(/C=C(/C=C(c1ccc(C)cc1)O1)\C1=O)cc1)c1OCc(cc1)ccc1Br

InChI

InChI=1S/C27H23BrO4/c1-3-30-26-15-20(8-13-24(26)31-17-19-6-11-23(28)12-7-19)14-22-16-25(32-27(22)29)21-9-4-18(2)5-10-21/h4-16H,3,17H2,1-2H3

InChI Key

OYGNHWGEYMYEKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01607076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.701

Distribution Coefficient, logD

6.701

Water Solubility, LogSw

-5.70

Polar Surface Area

37.264

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 4989-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4989-0003?
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What is the minimum amount of 4989-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4989-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4989-0003
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4989-0003 available by request